Information card for entry 7208482

Structure parameters

• Formula: C26 H19 N4 O6.5 Zn
• Calculated formula: C26 H19 N4 O6.5 Zn
• Title of publication: A novel 2D→3D array in a vertical mode containing both polyrotaxane and polycatenane motifs
• Authors of publication: Sun, Gong-ming; Song, Yu-mei; Liu, Yan; Tian, Xiao-zhao; Huang, Hai-xiao; Zhu, Yan; Yuan, Zi-jun; Feng, Xue-feng; Luo, Ming-biao; Liu, Shu-juan; Xu, Wen-yuan; Luo, Feng
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 18
• Pages of publication: 5714
• a: 12.4772 ± 0.0002 Å
• b: 12.226 ± 0.0001 Å
• c: 18.0714 ± 0.0003 Å
• α: 90°
• β: 120.468 ± 0.001°
• γ: 90°
• Cell volume: 2376.06 ± 0.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0384
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0801
• Weighted residual factors for all reflections included in the refinement: 0.0858
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No